Molecule

ID:45171

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂INO
Molecular Mass
394.03507
Exact Mass
392.91841731
Charge
0
InChI
InChI=1S/C13H10Cl2INO/c14-7-10-6-11(16)12(13(15)17-10)18-8-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKey
IQOYARQNLNWGCQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(I)c(c(n1)Cl)OCc1ccccc1
Isomeric Smiles
c1(c(nc(cc1I)CCl)Cl)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7442555
LogD (pH = 7.4)
4.7442555
Log P
4.7442555
Molar Refractivity
83.5502
Polarizability
32.37711
Polar Surface Area
22.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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